8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline

C20H16F3N3O2 — CID 70343219

IUPAC8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline
SMILESCOc1cc(C)c2nc(-c3ccc(OC)c4nc(C(F)(F)F)ccc34)[nH]c2c1
InChIInChI=1S/C20H16F3N3O2/c1-10-8-11(27-2)9-14-17(10)26-19(24-14)13-4-6-15(28-3)18-12(13)5-7-16(25-18)20(21,22)23/h4-9H,1-3H3,(H,24,26)
InChIKeyHQPCIQKKQGMPIR-UHFFFAOYSA-N
MW387.36 g/mol
LogP5.12
Rot. Bonds3

About 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline

8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline (PubChem CID 70343219) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline
PubChem CID70343219
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline
SMILESCOc1cc(C)c2nc(-c3ccc(OC)c4nc(C(F)(F)F)ccc34)[nH]c2c1
InChIInChI=1S/C20H16F3N3O2/c1-10-8-11(27-2)9-14-17(10)26-19(24-14)13-4-6-15(28-3)18-12(13)5-7-16(25-18)20(21,22)23/h4-9H,1-3H3,(H,24,26)
InChIKeyHQPCIQKKQGMPIR-UHFFFAOYSA-N
XLogP5.12
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.36
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-5-(6-methoxy-1H-benzimidazol-2-yl)-2-methylquinoline
CID 18784006
5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline
CID 143627564
2-(4,6-dimethoxy-1H-benzimidazol-2-yl)-4,6-dimethoxy-1H-benzimidazole
CID 177451746
ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline
CID 143627563
4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 82940862
2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 62337492
6-bromo-2-(3,4-dimethoxyphenyl)-4-methyl-1H-benzimidazole
CID 104574626
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-4-methoxyphenol
CID 136727863
2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82942404
2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-6-methoxyphenol
CID 136727868
1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one
CID 59336016
4,6-difluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
CID 81463104

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline?
The IUPAC name of 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline (CID 70343219) is 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline?
The canonical SMILES for 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline is COc1cc(C)c2nc(-c3ccc(OC)c4nc(C(F)(F)F)ccc34)[nH]c2c1.
What is the InChIKey of 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline?
The InChIKey is HQPCIQKKQGMPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-10-8-11(27-2)9-14-17(10)26-19(24-14)13-4-6-15(28-3)18-12(13)5-7-16(25-18)20(21,22)23/h4-9H,1-3H3,(H,24,26).
What are the key properties of 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline?
8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline has a molecular weight of 387.36 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-(6-methoxy-4-methyl-1H-benzimidazol-2-yl)-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 70343219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).